[(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid

C15H31N2O4P — CID 11573547

IUPAC[(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
SMILESCC(C)[C@@H](N)C(=O)NC[C@@H](O)CP(=O)(O)CC1CCCCC1
InChIInChI=1S/C15H31N2O4P/c1-11(2)14(16)15(19)17-8-13(18)10-22(20,21)9-12-6-4-3-5-7-12/h11-14,18H,3-10,16H2,1-2H3,(H,17,19)(H,20,21)/t13-,14-/m1/s1
InChIKeyLHUQHUKZXJNMIB-ZIAGYGMSSA-N
MW334.40 g/mol
LogP1.30
Rot. Bonds8

About [(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid

[(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid (PubChem CID 11573547) has the molecular formula C15H31N2O4P and a molecular weight of 334.40 g/mol. Its IUPAC name is [(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid.

Molecular Properties

Compound Name[(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
PubChem CID11573547
Molecular FormulaC15H31N2O4P
Molecular Weight334.40 g/mol
Exact Mass334.20
IUPAC Name[(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
SMILESCC(C)[C@@H](N)C(=O)NC[C@@H](O)CP(=O)(O)CC1CCCCC1
InChIInChI=1S/C15H31N2O4P/c1-11(2)14(16)15(19)17-8-13(18)10-22(20,21)9-12-6-4-3-5-7-12/h11-14,18H,3-10,16H2,1-2H3,(H,17,19)(H,20,21)/t13-,14-/m1/s1
InChIKeyLHUQHUKZXJNMIB-ZIAGYGMSSA-N
XLogP1.30
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid?
The IUPAC name of [(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid (CID 11573547) is [(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid.
What is the SMILES notation for [(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid?
The canonical SMILES for [(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid is CC(C)[C@@H](N)C(=O)NC[C@@H](O)CP(=O)(O)CC1CCCCC1.
What is the InChIKey of [(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid?
The InChIKey is LHUQHUKZXJNMIB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H31N2O4P/c1-11(2)14(16)15(19)17-8-13(18)10-22(20,21)9-12-6-4-3-5-7-12/h11-14,18H,3-10,16H2,1-2H3,(H,17,19)(H,20,21)/t13-,14-/m1/s1.
What are the key properties of [(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid?
[(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid has a molecular weight of 334.40 g/mol, XLogP of 1.30, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid is sourced from PubChem (CID 11573547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).