2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid

C15H30N2O4 — CID 69297250

IUPAC2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid
SMILESCCCCNCC(=O)O.C[C@H](NC1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO2.C6H13NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8;1-2-3-4-7-5-6(8)9/h7-8,10H,2-6H2,1H3,(H,11,12);7H,2-5H2,1H3,(H,8,9)/t7-;/m0./s1
InChIKeyVCLMFVMOZFPVDR-FJXQXJEOSA-N
MW302.42 g/mol
LogP1.84
Rot. Bonds8

About 2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid

2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid (PubChem CID 69297250) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid.

Molecular Properties

Compound Name2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid
PubChem CID69297250
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid
SMILESCCCCNCC(=O)O.C[C@H](NC1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO2.C6H13NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8;1-2-3-4-7-5-6(8)9/h7-8,10H,2-6H2,1H3,(H,11,12);7H,2-5H2,1H3,(H,8,9)/t7-;/m0./s1
InChIKeyVCLMFVMOZFPVDR-FJXQXJEOSA-N
XLogP1.84
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(cyclohexylamino)propanoic acid;2-(hexylamino)acetic acid
CID 159723449
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
2-[3-(cyclohexylamino)propylamino]acetic acid
CID 172685431
2-[(4-pentylcyclohexyl)amino]propanoic acid
CID 174627181
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
2-(cyclohexylamino)heptanoic acid
CID 60998800
2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid
CID 19911770
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid
CID 67882155
2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid?
The IUPAC name of 2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid (CID 69297250) is 2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid.
What is the SMILES notation for 2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid?
The canonical SMILES for 2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid is CCCCNCC(=O)O.C[C@H](NC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid?
The InChIKey is VCLMFVMOZFPVDR-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H17NO2.C6H13NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8;1-2-3-4-7-5-6(8)9/h7-8,10H,2-6H2,1H3,(H,11,12);7H,2-5H2,1H3,(H,8,9)/t7-;/m0./s1.
What are the key properties of 2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid?
2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid has a molecular weight of 302.42 g/mol, XLogP of 1.84, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid is sourced from PubChem (CID 69297250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).