2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid

C14H26N2O5 — CID 153047675

IUPAC2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid
SMILESCC(C)(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)O
InChIInChI=1S/C14H26N2O5/c1-13(2,3)7-9(11(19)15-8-10(17)18)16-12(20)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,20)(H,17,18)/t9-/m1/s1
InChIKeyVGXXOCXXQYBVAV-SECBINFHSA-N
MW302.37 g/mol
LogP1.52
Rot. Bonds5

About 2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid

2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid (PubChem CID 153047675) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid
PubChem CID153047675
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid
SMILESCC(C)(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)O
InChIInChI=1S/C14H26N2O5/c1-13(2,3)7-9(11(19)15-8-10(17)18)16-12(20)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,20)(H,17,18)/t9-/m1/s1
InChIKeyVGXXOCXXQYBVAV-SECBINFHSA-N
XLogP1.52
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-(carboxymethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 15200226
(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 7021114
(2,3,4,5,6-pentafluorophenyl) 2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 59087224
2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetic acid
CID 7014899
2-[[(2S)-3-cyclopenta-1,3-dien-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid
CID 101162785
tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate
CID 90394148
2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid
CID 22025867
ethane;methane;2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetic acid
CID 172608163
2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]acetic acid
CID 11072088
tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid
CID 68800624
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]acetic acid
CID 45034966
2-[[2-(methoxycarbonylamino)-3-sulfanylpropanoyl]amino]acetic acid
CID 144508939

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid (CID 153047675) is 2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid is CC(C)(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid?
The InChIKey is VGXXOCXXQYBVAV-SECBINFHSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-13(2,3)7-9(11(19)15-8-10(17)18)16-12(20)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,20)(H,17,18)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid?
2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid has a molecular weight of 302.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid is sourced from PubChem (CID 153047675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).