(2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid

C15H29N3O5 — CID 102482356

IUPAC(2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid
SMILESCC(C)C[C@H](C(=O)N[C@H](C)C(=O)O)N(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O5/c1-9(2)8-11(12(19)16-10(3)13(20)21)18(7)17-14(22)23-15(4,5)6/h9-11H,8H2,1-7H3,(H,16,19)(H,17,22)(H,20,21)/t10-,11-/m1/s1
InChIKeyVZFUSPBCYXFZPL-GHMZBOCLSA-N
MW331.41 g/mol
LogP1.36
Rot. Bonds7

About (2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid

(2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid (PubChem CID 102482356) has the molecular formula C15H29N3O5 and a molecular weight of 331.41 g/mol. Its IUPAC name is (2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid
PubChem CID102482356
Molecular FormulaC15H29N3O5
Molecular Weight331.41 g/mol
Exact Mass331.21
IUPAC Name(2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid
SMILESCC(C)C[C@H](C(=O)N[C@H](C)C(=O)O)N(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O5/c1-9(2)8-11(12(19)16-10(3)13(20)21)18(7)17-14(22)23-15(4,5)6/h9-11H,8H2,1-7H3,(H,16,19)(H,17,22)(H,20,21)/t10-,11-/m1/s1
InChIKeyVZFUSPBCYXFZPL-GHMZBOCLSA-N
XLogP1.36
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 175909606
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoic acid
CID 14657712
(2S)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoic acid
CID 126628742
tert-butyl N-[(2S)-2-[methoxy(methyl)amino]-4-methylpentanoyl]carbamate
CID 54094501
(2R)-4-methyl-2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentanoic acid
CID 129251365
(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 2761526
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 16682082
4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoic acid
CID 3243056
(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]propanoic acid
CID 71361691
tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
(2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetyl]amino]propanoic acid
CID 54534542

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid (CID 102482356) is (2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid is CC(C)C[C@H](C(=O)N[C@H](C)C(=O)O)N(C)NC(=O)OC(C)(C)C.
What is the InChIKey of (2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid?
The InChIKey is VZFUSPBCYXFZPL-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H29N3O5/c1-9(2)8-11(12(19)16-10(3)13(20)21)18(7)17-14(22)23-15(4,5)6/h9-11H,8H2,1-7H3,(H,16,19)(H,17,22)(H,20,21)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid?
(2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid has a molecular weight of 331.41 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid is sourced from PubChem (CID 102482356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).