4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid

C9H18N2O3 — CID 87751829

IUPAC4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid
SMILESCCC(NC(C)CCC(=O)O)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-3-7(9(10)14)11-6(2)4-5-8(12)13/h6-7,11H,3-5H2,1-2H3,(H2,10,14)(H,12,13)
InChIKeyXDNSEUQGXMAFMU-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.09
Rot. Bonds7

About 4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid

4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid (PubChem CID 87751829) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid
PubChem CID87751829
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid
SMILESCCC(NC(C)CCC(=O)O)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-3-7(9(10)14)11-6(2)4-5-8(12)13/h6-7,11H,3-5H2,1-2H3,(H2,10,14)(H,12,13)
InChIKeyXDNSEUQGXMAFMU-UHFFFAOYSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-amino-4-(butan-2-ylamino)-5-oxopentanoic acid
CID 87360410
2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
CID 174420695
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
2-(pentan-3-ylamino)butanamide
CID 62899455
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726
(2S)-2-(heptadecan-2-ylamino)pentanedioic acid
CID 121284331
2,5-bis(methylamino)hexanediamide
CID 66221520
4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid
CID 79254254
(4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid
CID 166997811
6-amino-2-(butan-2-ylamino)hexanamide
CID 129101574
2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
CID 66431267
2-[1-(furan-2-yl)propan-2-ylamino]butanamide
CID 62899658

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid?
The IUPAC name of 4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid (CID 87751829) is 4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid?
The canonical SMILES for 4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid is CCC(NC(C)CCC(=O)O)C(N)=O.
What is the InChIKey of 4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid?
The InChIKey is XDNSEUQGXMAFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-7(9(10)14)11-6(2)4-5-8(12)13/h6-7,11H,3-5H2,1-2H3,(H2,10,14)(H,12,13).
What are the key properties of 4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid?
4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 87751829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).