(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid

C11H20N2O3 — CID 79526672

IUPAC(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)C1CCC(CN)CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(11(15)16)13-10(14)9-4-2-8(6-12)3-5-9/h7-9H,2-6,12H2,1H3,(H,13,14)(H,15,16)/t7-,8?,9?/m0/s1
InChIKeyTXQRQMPOFYNEIJ-UEJVZZJDSA-N
MW228.29 g/mol
LogP0.34
Rot. Bonds4

About (2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid

(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid (PubChem CID 79526672) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid
PubChem CID79526672
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)C1CCC(CN)CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(11(15)16)13-10(14)9-4-2-8(6-12)3-5-9/h7-9H,2-6,12H2,1H3,(H,13,14)(H,15,16)/t7-,8?,9?/m0/s1
InChIKeyTXQRQMPOFYNEIJ-UEJVZZJDSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid with MolForge

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Related Compounds

methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79526964
(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79527272
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 79527189
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 79526745
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide
CID 81393218
4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 65053308
2-(thiane-4-carbonylamino)propanoic acid
CID 119348546
22-[4-[[(1S)-1-carboxyethyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid
CID 157072693
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 119225718

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid (CID 79526672) is (2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid is C[C@H](NC(=O)C1CCC(CN)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid?
The InChIKey is TXQRQMPOFYNEIJ-UEJVZZJDSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(11(15)16)13-10(14)9-4-2-8(6-12)3-5-9/h7-9H,2-6,12H2,1H3,(H,13,14)(H,15,16)/t7-,8?,9?/m0/s1.
What are the key properties of (2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid?
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 79526672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).