(2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

C12H18N4O3 — CID 104894530

IUPAC(2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESNCC1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)CCC1
InChIInChI=1S/C12H18N4O3/c13-6-12(2-1-3-12)11(19)16-9(10(17)18)4-8-5-14-7-15-8/h5,7,9H,1-4,6,13H2,(H,14,15)(H,16,19)(H,17,18)/t9-/m1/s1
InChIKeyURJUOBUCSQYVOH-SECBINFHSA-N
MW266.30 g/mol
LogP-0.35
Rot. Bonds6

About (2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

(2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 104894530) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID104894530
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESNCC1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)CCC1
InChIInChI=1S/C12H18N4O3/c13-6-12(2-1-3-12)11(19)16-9(10(17)18)4-8-5-14-7-15-8/h5,7,9H,1-4,6,13H2,(H,14,15)(H,16,19)(H,17,18)/t9-/m1/s1
InChIKeyURJUOBUCSQYVOH-SECBINFHSA-N
XLogP-0.35
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103870452
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
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(2R)-2-[(3-amino-2-methylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
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(2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 103870373
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 175906172
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18495992
(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 65229461
2-[(2-cyclobutylacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107864176
3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 107864268
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
3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
CID 61188935
3-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-oxobutanoic acid
CID 18487954

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid (CID 104894530) is (2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid is NCC1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)CCC1.
What is the InChIKey of (2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is URJUOBUCSQYVOH-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-6-12(2-1-3-12)11(19)16-9(10(17)18)4-8-5-14-7-15-8/h5,7,9H,1-4,6,13H2,(H,14,15)(H,16,19)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?
(2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 104894530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).