(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid

C10H18N2O4 — CID 107825006

IUPAC(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid
SMILESNCC1(C(=O)N[C@@H](CCO)C(=O)O)CCC1
InChIInChI=1S/C10H18N2O4/c11-6-10(3-1-4-10)9(16)12-7(2-5-13)8(14)15/h7,13H,1-6,11H2,(H,12,16)(H,14,15)/t7-/m0/s1
InChIKeyXEVKDMZAMFJKJK-ZETCQYMHSA-N
MW230.26 g/mol
LogP-0.93
Rot. Bonds6

About (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid

(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid (PubChem CID 107825006) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid
PubChem CID107825006
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid
SMILESNCC1(C(=O)N[C@@H](CCO)C(=O)O)CCC1
InChIInChI=1S/C10H18N2O4/c11-6-10(3-1-4-10)9(16)12-7(2-5-13)8(14)15/h7,13H,1-6,11H2,(H,12,16)(H,14,15)/t7-/m0/s1
InChIKeyXEVKDMZAMFJKJK-ZETCQYMHSA-N
XLogP-0.93
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid
CID 115443988
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid
CID 113311657
(2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid
CID 107835682
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanedioic acid
CID 115444316
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanoic acid
CID 115443955
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid
CID 113311705
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107824951
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
CID 113309539
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 113310101
1-(aminomethyl)-N-(1-hydroxypentan-3-yl)cyclohexane-1-carboxamide
CID 113495813
5-amino-2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-5-oxopentanoic acid
CID 115439361

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid (CID 107825006) is (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid is NCC1(C(=O)N[C@@H](CCO)C(=O)O)CCC1.
What is the InChIKey of (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid?
The InChIKey is XEVKDMZAMFJKJK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-6-10(3-1-4-10)9(16)12-7(2-5-13)8(14)15/h7,13H,1-6,11H2,(H,12,16)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid?
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107825006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).