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

C10H16N4O3 — CID 104894253

IUPAC(2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESCN(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-14(2)5-9(15)13-8(10(16)17)3-7-4-11-6-12-7/h4,6,8H,3,5H2,1-2H3,(H,11,12)(H,13,15)(H,16,17)/t8-/m1/s1
InChIKeyLQGRPNXYMCCAST-MRVPVSSYSA-N
MW240.26 g/mol
LogP-0.92
Rot. Bonds6

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

(2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 104894253) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID104894253
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name(2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESCN(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-14(2)5-9(15)13-8(10(16)17)3-7-4-11-6-12-7/h4,6,8H,3,5H2,1-2H3,(H,11,12)(H,13,15)(H,16,17)/t8-/m1/s1
InChIKeyLQGRPNXYMCCAST-MRVPVSSYSA-N
XLogP-0.92
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-(3-hydroxypropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
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2-(2-ethylbutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
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5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
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(2S)-2-[(2-cyanoacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
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(2R)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
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(2R)-2-[3-(ethylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid (CID 104894253) is (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid is CN(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is LQGRPNXYMCCAST-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-14(2)5-9(15)13-8(10(16)17)3-7-4-11-6-12-7/h4,6,8H,3,5H2,1-2H3,(H,11,12)(H,13,15)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?
(2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 104894253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).