(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid

C15H28N2O3 — CID 104677924

IUPAC(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)CC1(CN)CCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-3-11(2)13(14(19)20)17-12(18)9-15(10-16)7-5-4-6-8-15/h11,13H,3-10,16H2,1-2H3,(H,17,18)(H,19,20)/t11?,13-/m0/s1
InChIKeyUAWOZYYEFALAQA-YUZLPWPTSA-N
MW284.40 g/mol
LogP1.90
Rot. Bonds7

About (2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid

(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid (PubChem CID 104677924) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid
PubChem CID104677924
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)CC1(CN)CCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-3-11(2)13(14(19)20)17-12(18)9-15(10-16)7-5-4-6-8-15/h11,13H,3-10,16H2,1-2H3,(H,17,18)(H,19,20)/t11?,13-/m0/s1
InChIKeyUAWOZYYEFALAQA-YUZLPWPTSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3-methylpentanoic acid
CID 81172961
(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid
CID 64678791
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoic acid
CID 113342137
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 103870495
4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 112547674
2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
CID 113440144
2-[[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]methyl]butanoic acid
CID 104678326
2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide
CID 104677624
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 61174176
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide
CID 104678316
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid?
The IUPAC name of (2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid (CID 104677924) is (2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid is CCC(C)[C@H](NC(=O)CC1(CN)CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid?
The InChIKey is UAWOZYYEFALAQA-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-11(2)13(14(19)20)17-12(18)9-15(10-16)7-5-4-6-8-15/h11,13H,3-10,16H2,1-2H3,(H,17,18)(H,19,20)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid?
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 104677924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).