CID 158288818

C10H20FN3O2 — CID 158288818

IUPAC—
SMILESC.CC(C)N[C@@H](Cc1cnc[nH]1)C(=O)O.[3H]F
InChIInChI=1S/C9H15N3O2.CH4.FH/c1-6(2)12-8(9(13)14)3-7-4-10-5-11-7;;/h4-6,8,12H,3H2,1-2H3,(H,10,11)(H,13,14);1H4;1H/t8-;;/m0../s1/i/hT
InChIKeyGLCMIJYJMJRMQL-BNKOMTAFSA-N
MW235.30 g/mol
LogP1.19
Rot. Bonds5

About CID 158288818

CID 158288818 (PubChem CID 158288818) has the molecular formula C10H20FN3O2 and a molecular weight of 235.30 g/mol.

Molecular Properties

Compound NameCID 158288818
PubChem CID158288818
Molecular FormulaC10H20FN3O2
Molecular Weight235.30 g/mol
Exact Mass235.16
IUPAC Name—
SMILESC.CC(C)N[C@@H](Cc1cnc[nH]1)C(=O)O.[3H]F
InChIInChI=1S/C9H15N3O2.CH4.FH/c1-6(2)12-8(9(13)14)3-7-4-10-5-11-7;;/h4-6,8,12H,3H2,1-2H3,(H,10,11)(H,13,14);1H4;1H/t8-;;/m0../s1/i/hT
InChIKeyGLCMIJYJMJRMQL-BNKOMTAFSA-N
XLogP1.19
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminobutan-2-ylamino)-3-(1H-imidazol-5-yl)propanoic acid
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(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid;hydrochloride
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(2R)-3-(1H-imidazol-5-yl)-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 103870385
(2S,3R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid
CID 14808242
CID 162305209
CID 162305209
(2S)-2-[2-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]hydrazinyl]-3-methylbutanoic acid
CID 175768754
(2S)-3-(1H-imidazol-5-yl)-2-(2-nitrosopropanoylamino)propanoic acid
CID 88923241
2-[[2-[[2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18235924
(2S)-2-[[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]octanoic acid
CID 59101024
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103870459
2-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 22144096
(2R)-2-[(2-amino-4-methylpentanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103870414

Frequently Asked Questions

What is the IUPAC name of CID 158288818?
The IUPAC name of CID 158288818 (CID 158288818) is not available.
What is the SMILES notation for CID 158288818?
The canonical SMILES for CID 158288818 is C.CC(C)N[C@@H](Cc1cnc[nH]1)C(=O)O.[3H]F.
What is the InChIKey of CID 158288818?
The InChIKey is GLCMIJYJMJRMQL-BNKOMTAFSA-N. The full InChI is InChI=1S/C9H15N3O2.CH4.FH/c1-6(2)12-8(9(13)14)3-7-4-10-5-11-7;;/h4-6,8,12H,3H2,1-2H3,(H,10,11)(H,13,14);1H4;1H/t8-;;/m0../s1/i/hT.
What are the key properties of CID 158288818?
CID 158288818 has a molecular weight of 235.30 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158288818 is sourced from PubChem (CID 158288818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).