2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid

C14H26N2O3 — CID 43656845

IUPAC2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid
SMILESCCCC(C)NC(=O)C(C)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H26N2O3/c1-4-5-10(2)15-14(19)11(3)16(9-13(17)18)8-12-6-7-12/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyOUYUHBYLVFXQMC-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds9

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

2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid (PubChem CID 43656845) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid
PubChem CID43656845
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid
SMILESCCCC(C)NC(=O)C(C)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H26N2O3/c1-4-5-10(2)15-14(19)11(3)16(9-13(17)18)8-12-6-7-12/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyOUYUHBYLVFXQMC-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 43656844
2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43656825
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265797
N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
CID 106640714
2-[tert-butyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid
CID 79268870
2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid
CID 43656828
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106615213
2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid
CID 62265201
2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid
CID 66565406
2-[2-hydroxyethyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 62014640
2-[methyl(piperidin-3-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106636671
2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]-prop-2-ynylamino]acetic acid
CID 79284351

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid (CID 43656845) is 2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid is CCCC(C)NC(=O)C(C)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid?
The InChIKey is OUYUHBYLVFXQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-5-10(2)15-14(19)11(3)16(9-13(17)18)8-12-6-7-12/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid?
2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid is sourced from PubChem (CID 43656845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).