2-[[(1S)-1-carboxyethyl]amino]pentanoic acid

C8H15NO4 — CID 6398606

IUPAC2-[[(1S)-1-carboxyethyl]amino]pentanoic acid
SMILESCCCC(N[C@@H](C)C(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-3-4-6(8(12)13)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,6?/m0/s1
InChIKeyAMDDRMIFTJHJGD-ZBHICJROSA-N
MW189.21 g/mol
LogP0.30
Rot. Bonds6

About 2-[[(1S)-1-carboxyethyl]amino]pentanoic acid

2-[[(1S)-1-carboxyethyl]amino]pentanoic acid (PubChem CID 6398606) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[[(1S)-1-carboxyethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[(1S)-1-carboxyethyl]amino]pentanoic acid
PubChem CID6398606
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-[[(1S)-1-carboxyethyl]amino]pentanoic acid
SMILESCCCC(N[C@@H](C)C(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-3-4-6(8(12)13)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,6?/m0/s1
InChIKeyAMDDRMIFTJHJGD-ZBHICJROSA-N
XLogP0.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-carboxyethyl]amino]pentanoic acid?
The IUPAC name of 2-[[(1S)-1-carboxyethyl]amino]pentanoic acid (CID 6398606) is 2-[[(1S)-1-carboxyethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[(1S)-1-carboxyethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[(1S)-1-carboxyethyl]amino]pentanoic acid is CCCC(N[C@@H](C)C(=O)O)C(=O)O.
What is the InChIKey of 2-[[(1S)-1-carboxyethyl]amino]pentanoic acid?
The InChIKey is AMDDRMIFTJHJGD-ZBHICJROSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-4-6(8(12)13)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,6?/m0/s1.
What are the key properties of 2-[[(1S)-1-carboxyethyl]amino]pentanoic acid?
2-[[(1S)-1-carboxyethyl]amino]pentanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-carboxyethyl]amino]pentanoic acid is sourced from PubChem (CID 6398606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).