(2S)-2-(3-carboxypropanoylamino)pentanoic acid

C9H15NO5 — CID 6852189

IUPAC(2S)-2-(3-carboxypropanoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)CCC(=O)O)C(=O)O
InChIInChI=1S/C9H15NO5/c1-2-3-6(9(14)15)10-7(11)4-5-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
InChIKeyHRAPDLBXHOBAKA-LURJTMIESA-N
MW217.22 g/mol
LogP0.22
Rot. Bonds7

About (2S)-2-(3-carboxypropanoylamino)pentanoic acid

(2S)-2-(3-carboxypropanoylamino)pentanoic acid (PubChem CID 6852189) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2S)-2-(3-carboxypropanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-carboxypropanoylamino)pentanoic acid
PubChem CID6852189
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name(2S)-2-(3-carboxypropanoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)CCC(=O)O)C(=O)O
InChIInChI=1S/C9H15NO5/c1-2-3-6(9(14)15)10-7(11)4-5-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
InChIKeyHRAPDLBXHOBAKA-LURJTMIESA-N
XLogP0.22
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-carboxypropanoylamino)pentanoic acid?
The IUPAC name of (2S)-2-(3-carboxypropanoylamino)pentanoic acid (CID 6852189) is (2S)-2-(3-carboxypropanoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(3-carboxypropanoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(3-carboxypropanoylamino)pentanoic acid is CCC[C@H](NC(=O)CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(3-carboxypropanoylamino)pentanoic acid?
The InChIKey is HRAPDLBXHOBAKA-LURJTMIESA-N. The full InChI is InChI=1S/C9H15NO5/c1-2-3-6(9(14)15)10-7(11)4-5-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-(3-carboxypropanoylamino)pentanoic acid?
(2S)-2-(3-carboxypropanoylamino)pentanoic acid has a molecular weight of 217.22 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-carboxypropanoylamino)pentanoic acid is sourced from PubChem (CID 6852189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).