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

C11H18N2O5 — CID 113311657

IUPAC(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid
SMILESNCC1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCC1
InChIInChI=1S/C11H18N2O5/c12-6-11(4-1-5-11)10(18)13-7(9(16)17)2-3-8(14)15/h7H,1-6,12H2,(H,13,18)(H,14,15)(H,16,17)/t7-/m0/s1
InChIKeySFTLPVSKGBOXHK-ZETCQYMHSA-N
MW258.27 g/mol
LogP-0.45
Rot. Bonds7

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

(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid (PubChem CID 113311657) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid
PubChem CID113311657
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid
SMILESNCC1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCC1
InChIInChI=1S/C11H18N2O5/c12-6-11(4-1-5-11)10(18)13-7(9(16)17)2-3-8(14)15/h7H,1-6,12H2,(H,13,18)(H,14,15)(H,16,17)/t7-/m0/s1
InChIKeySFTLPVSKGBOXHK-ZETCQYMHSA-N
XLogP-0.45
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid
CID 107835682
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107825006
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid
CID 115443988
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanedioic acid
CID 115444316
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid
CID 82847028
5-amino-2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-5-oxopentanoic acid
CID 115439361
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanoic acid
CID 115443955
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid
CID 113311705
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
CID 113309539
(2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid
CID 63131411
(2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894530
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid (CID 113311657) is (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid is NCC1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCC1.
What is the InChIKey of (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid?
The InChIKey is SFTLPVSKGBOXHK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N2O5/c12-6-11(4-1-5-11)10(18)13-7(9(16)17)2-3-8(14)15/h7H,1-6,12H2,(H,13,18)(H,14,15)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid?
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid has a molecular weight of 258.27 g/mol, XLogP of -0.45, 7 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]pentanedioic acid is sourced from PubChem (CID 113311657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).