(2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid

C10H19N3O5 — CID 71421891

IUPAC(2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid
SMILESC[C@H](N)C(=O)N[C@@H](COC(=O)CCCN)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-6(12)9(15)13-7(10(16)17)5-18-8(14)3-2-4-11/h6-7H,2-5,11-12H2,1H3,(H,13,15)(H,16,17)/t6-,7-/m0/s1
InChIKeyUQJCAPYLHZUPGT-BQBZGAKWSA-N
MW261.28 g/mol
LogP-1.81
Rot. Bonds8

About (2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid

(2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid (PubChem CID 71421891) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid
PubChem CID71421891
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name(2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid
SMILESC[C@H](N)C(=O)N[C@@H](COC(=O)CCCN)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-6(12)9(15)13-7(10(16)17)5-18-8(14)3-2-4-11/h6-7H,2-5,11-12H2,1H3,(H,13,15)(H,16,17)/t6-,7-/m0/s1
InChIKeyUQJCAPYLHZUPGT-BQBZGAKWSA-N
XLogP-1.81
TPSA144.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(5-phenylpentanoyloxy)propanoic acid
CID 71421892
[2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide
CID 163147707
(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid
CID 175695979
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid
CID 122211018
2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]butanedioic acid
CID 18218444
6-amino-2-[[2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
CID 18237051
6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid
CID 18232813
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid
CID 134824866
(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid
CID 145453607
(2R)-3-hexanoyloxy-2-(tetradecanoylamino)propanoic acid
CID 10093181
(2S)-2-(hexadecanoylamino)-3-hexadecanoyloxypropanoic acid
CID 88629935
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid?
The IUPAC name of (2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid (CID 71421891) is (2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid is C[C@H](N)C(=O)N[C@@H](COC(=O)CCCN)C(=O)O.
What is the InChIKey of (2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid?
The InChIKey is UQJCAPYLHZUPGT-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-6(12)9(15)13-7(10(16)17)5-18-8(14)3-2-4-11/h6-7H,2-5,11-12H2,1H3,(H,13,15)(H,16,17)/t6-,7-/m0/s1.
What are the key properties of (2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid?
(2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.81, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid is sourced from PubChem (CID 71421891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).