(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid

C14H23N3O4 — CID 66135618

IUPAC(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid
SMILESCCCn1cncc1[C@@H](CC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O4/c1-5-6-17-9-15-8-11(17)10(7-12(18)19)16-13(20)21-14(2,3)4/h8-10H,5-7H2,1-4H3,(H,16,20)(H,18,19)/t10-/m1/s1
InChIKeyGGPQURFOYPDDLU-SNVBAGLBSA-N
MW297.36 g/mol
LogP2.33
Rot. Bonds6

About (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid

(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid (PubChem CID 66135618) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid
PubChem CID66135618
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid
SMILESCCCn1cncc1[C@@H](CC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O4/c1-5-6-17-9-15-8-11(17)10(7-12(18)19)16-13(20)21-14(2,3)4/h8-10H,5-7H2,1-4H3,(H,16,20)(H,18,19)/t10-/m1/s1
InChIKeyGGPQURFOYPDDLU-SNVBAGLBSA-N
XLogP2.33
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-acetamido-3-(3-propylimidazol-4-yl)propanoic acid
CID 66133349
tert-butyl N-[(1R)-1-(3-butylimidazol-4-yl)ethyl]carbamate
CID 114986110
tert-butyl N-[(1R)-1-(3-but-3-ynylimidazol-4-yl)propyl]carbamate
CID 114986305
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid
CID 66132929
tert-butyl N-[(1R)-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]propyl]carbamate
CID 104943854
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propylpyrazol-4-yl)propanoic acid
CID 103572263
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid
CID 103696814
tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate
CID 114703660
tert-butyl N-[(1R)-1-(3-ethylimidazol-4-yl)ethyl]carbamate
CID 114986134
tert-butyl N-[(1S)-1-[3-(3-butoxypropyl)imidazol-4-yl]ethyl]carbamate
CID 104943758
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-propylimidazol-4-yl)propanoic acid
CID 103696729
tert-butyl N-[1-[3-(3-aminopropyl)imidazol-4-yl]ethyl]carbamate
CID 114704397

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid?
The IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid (CID 66135618) is (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid.
What is the SMILES notation for (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid?
The canonical SMILES for (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid is CCCn1cncc1[C@@H](CC(=O)O)NC(=O)OC(C)(C)C.
What is the InChIKey of (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid?
The InChIKey is GGPQURFOYPDDLU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-5-6-17-9-15-8-11(17)10(7-12(18)19)16-13(20)21-14(2,3)4/h8-10H,5-7H2,1-4H3,(H,16,20)(H,18,19)/t10-/m1/s1.
What are the key properties of (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid?
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid has a molecular weight of 297.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 66135618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).