(4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid

C8H14N2O4 — CID 122462104

IUPAC(4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid
SMILESNCCC(=O)N[C@@H](C=O)CCC(=O)O
InChIInChI=1S/C8H14N2O4/c9-4-3-7(12)10-6(5-11)1-2-8(13)14/h5-6H,1-4,9H2,(H,10,12)(H,13,14)/t6-/m1/s1
InChIKeyWVAGHEQDFVZHDB-ZCFIWIBFSA-N
MW202.21 g/mol
LogP-1.12
Rot. Bonds7

About (4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid

(4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid (PubChem CID 122462104) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid
PubChem CID122462104
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid
SMILESNCCC(=O)N[C@@H](C=O)CCC(=O)O
InChIInChI=1S/C8H14N2O4/c9-4-3-7(12)10-6(5-11)1-2-8(13)14/h5-6H,1-4,9H2,(H,10,12)(H,13,14)/t6-/m1/s1
InChIKeyWVAGHEQDFVZHDB-ZCFIWIBFSA-N
XLogP-1.12
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-oxo-4-[(2-sulfanylacetyl)amino]pentanoic acid
CID 172694165
(4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid
CID 22885522
18-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-18-oxooctadecanoic acid
CID 88901172
(4S)-4-acetamido-5-oxopentanoic acid
CID 57465512
(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4R)-4-amino-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
CID 91809514
(4S)-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid
CID 54125890
4-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 173301727
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid
CID 142750404
N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine
CID 145435395
(4S)-4-(carboxymethylamino)-5-oxopentanoic acid
CID 177256795
(2S)-2-[[(2S)-6-amino-1-oxohexan-2-yl]carbamoylamino]pentanedioic acid
CID 89270152
5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 18711702

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid?
The IUPAC name of (4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid (CID 122462104) is (4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid?
The canonical SMILES for (4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid is NCCC(=O)N[C@@H](C=O)CCC(=O)O.
What is the InChIKey of (4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid?
The InChIKey is WVAGHEQDFVZHDB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N2O4/c9-4-3-7(12)10-6(5-11)1-2-8(13)14/h5-6H,1-4,9H2,(H,10,12)(H,13,14)/t6-/m1/s1.
What are the key properties of (4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid?
(4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid has a molecular weight of 202.21 g/mol, XLogP of -1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 122462104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).