(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid

C11H18N2O3 — CID 64522000

IUPAC(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)N(CC1CC1)C1CC1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-7(10(14)15)12-11(16)13(9-4-5-9)6-8-2-3-8/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-/m1/s1
InChIKeyOXILYYKLOXALSM-SSDOTTSWSA-N
MW226.28 g/mol
LogP1.04
Rot. Bonds5

About (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid

(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 64522000) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
PubChem CID64522000
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)N(CC1CC1)C1CC1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-7(10(14)15)12-11(16)13(9-4-5-9)6-8-2-3-8/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-/m1/s1
InChIKeyOXILYYKLOXALSM-SSDOTTSWSA-N
XLogP1.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 64520008
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid
CID 107567101
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 64520201
3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069382
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007560
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171
2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 54959971
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55000658
(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80757557
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]propanoic acid
CID 82041637

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid (CID 64522000) is (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid is C[C@@H](NC(=O)N(CC1CC1)C1CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is OXILYYKLOXALSM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(10(14)15)12-11(16)13(9-4-5-9)6-8-2-3-8/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid?
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 64522000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).