2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid

C14H28N2O3 — CID 79269555

IUPAC2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
SMILESCCC(CC)NC(=O)C(C)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-7-11(8-2)15-13(19)10(3)16(9-12(17)18)14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,19)(H,17,18)
InChIKeyDSQQXZHDMLBVNL-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.86
Rot. Bonds7

About 2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid

2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid (PubChem CID 79269555) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
PubChem CID79269555
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
SMILESCCC(CC)NC(=O)C(C)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-7-11(8-2)15-13(19)10(3)16(9-12(17)18)14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,19)(H,17,18)
InChIKeyDSQQXZHDMLBVNL-UHFFFAOYSA-N
XLogP1.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid
CID 79268870
2-[tert-butyl-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]acetic acid
CID 79269384
2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 107426058
2-[cyclopropylmethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 43656844
2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid
CID 79268327
2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid
CID 79268714
2-[butan-2-yl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 54957365
2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide
CID 62020833
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54925907
2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide
CID 62014639
2-methyl-2-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]sulfinylpropanoic acid
CID 81230672

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid (CID 79269555) is 2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid is CCC(CC)NC(=O)C(C)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid?
The InChIKey is DSQQXZHDMLBVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-7-11(8-2)15-13(19)10(3)16(9-12(17)18)14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,19)(H,17,18).
What are the key properties of 2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid?
2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid has a molecular weight of 272.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid is sourced from PubChem (CID 79269555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).