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

C12H18N4O3 — CID 104894472

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
SMILESO=C(CC1CCNC1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C12H18N4O3/c17-11(3-8-1-2-13-5-8)16-10(12(18)19)4-9-6-14-7-15-9/h6-8,10,13H,1-5H2,(H,14,15)(H,16,17)(H,18,19)/t8?,10-/m1/s1
InChIKeyLRSRLQBIBNUDTO-LHIURRSHSA-N
MW266.30 g/mol
LogP-0.48
Rot. Bonds6

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

(2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid (PubChem CID 104894472) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
PubChem CID104894472
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
SMILESO=C(CC1CCNC1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C12H18N4O3/c17-11(3-8-1-2-13-5-8)16-10(12(18)19)4-9-6-14-7-15-9/h6-8,10,13H,1-5H2,(H,14,15)(H,16,17)(H,18,19)/t8?,10-/m1/s1
InChIKeyLRSRLQBIBNUDTO-LHIURRSHSA-N
XLogP-0.48
TPSA107.11 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 ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(1H-imidazol-5-yl)-2-(piperidine-3-carbonylamino)propanoic acid
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(2S)-2-[(2-chloroacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
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(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
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(2S)-2-(3-hydroxypropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
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CID 79854627
5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid
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3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid (CID 104894472) is (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid is O=C(CC1CCNC1)N[C@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid?
The InChIKey is LRSRLQBIBNUDTO-LHIURRSHSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-11(3-8-1-2-13-5-8)16-10(12(18)19)4-9-6-14-7-15-9/h6-8,10,13H,1-5H2,(H,14,15)(H,16,17)(H,18,19)/t8?,10-/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.48, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 104894472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).