(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid

C15H28N2O5 — CID 87902559

IUPAC(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid
SMILESCCCC[C@@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O5/c1-7-8-9-10(11(18)19)16-12(20)15(5,6)17-13(21)22-14(2,3)4/h10H,7-9H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m1/s1
InChIKeyDLRLKMGWSWYEDC-SNVBAGLBSA-N
MW316.40 g/mol
LogP2.05
Rot. Bonds7

About (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid

(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid (PubChem CID 87902559) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid
PubChem CID87902559
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid
SMILESCCCC[C@@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O5/c1-7-8-9-10(11(18)19)16-12(20)15(5,6)17-13(21)22-14(2,3)4/h10H,7-9H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m1/s1
InChIKeyDLRLKMGWSWYEDC-SNVBAGLBSA-N
XLogP2.05
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid with MolForge

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
CID 25131811
(2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]hexanoic acid
CID 131721921
(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
CID 166999411
(2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10728329
(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid
CID 71060534
(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid
CID 107146867
CID 163724094
CID 163724094
(2R)-3-benzylsulfanyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 141077071
(2S)-6-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 87274670
[4-carboxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-trimethylazanium
CID 87539933
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 141497187
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanedioic acid
CID 12879022

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid?
The IUPAC name of (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid (CID 87902559) is (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid.
What is the SMILES notation for (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid?
The canonical SMILES for (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid is CCCC[C@@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid?
The InChIKey is DLRLKMGWSWYEDC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-7-8-9-10(11(18)19)16-12(20)15(5,6)17-13(21)22-14(2,3)4/h10H,7-9H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid?
(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid has a molecular weight of 316.40 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid is sourced from PubChem (CID 87902559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).