(2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid

C12H20N2O6 — CID 107839207

IUPAC(2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)N(CCO)C1CC1)C(=O)O
InChIInChI=1S/C12H20N2O6/c15-7-6-14(8-4-5-8)12(20)13-9(11(18)19)2-1-3-10(16)17/h8-9,15H,1-7H2,(H,13,20)(H,16,17)(H,18,19)/t9-/m1/s1
InChIKeyCKJHKARNSYFCDO-SECBINFHSA-N
MW288.30 g/mol
LogP-0.14
Rot. Bonds9

About (2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid

(2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid (PubChem CID 107839207) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
PubChem CID107839207
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name(2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)N(CCO)C1CC1)C(=O)O
InChIInChI=1S/C12H20N2O6/c15-7-6-14(8-4-5-8)12(20)13-9(11(18)19)2-1-3-10(16)17/h8-9,15H,1-7H2,(H,13,20)(H,16,17)(H,18,19)/t9-/m1/s1
InChIKeyCKJHKARNSYFCDO-SECBINFHSA-N
XLogP-0.14
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107841430
2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
CID 61196404
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826087
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61228339
(2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107829419
2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 54998545
(2R)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107841576
(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
CID 107567792
(2S)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 102865708
(2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827056
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 43578459

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid?
The IUPAC name of (2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid (CID 107839207) is (2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)N(CCO)C1CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid?
The InChIKey is CKJHKARNSYFCDO-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O6/c15-7-6-14(8-4-5-8)12(20)13-9(11(18)19)2-1-3-10(16)17/h8-9,15H,1-7H2,(H,13,20)(H,16,17)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid?
(2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid has a molecular weight of 288.30 g/mol, XLogP of -0.14, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid is sourced from PubChem (CID 107839207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).