(2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid

C17H24N2O3 — CID 140552299

IUPAC(2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid
SMILESNC(=O)[C@@H](CC1CCCCC1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C17H24N2O3/c18-16(20)14(11-12-7-3-1-4-8-12)19-15(17(21)22)13-9-5-2-6-10-13/h2,5-6,9-10,12,14-15,19H,1,3-4,7-8,11H2,(H2,18,20)(H,21,22)/t14-,15-/m1/s1
InChIKeyTUCJBMXTXMTBJJ-HUUCEWRRSA-N
MW304.39 g/mol
LogP2.23
Rot. Bonds7

About (2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid

(2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid (PubChem CID 140552299) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid
PubChem CID140552299
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid
SMILESNC(=O)[C@@H](CC1CCCCC1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C17H24N2O3/c18-16(20)14(11-12-7-3-1-4-8-12)19-15(17(21)22)13-9-5-2-6-10-13/h2,5-6,9-10,12,14-15,19H,1,3-4,7-8,11H2,(H2,18,20)(H,21,22)/t14-,15-/m1/s1
InChIKeyTUCJBMXTXMTBJJ-HUUCEWRRSA-N
XLogP2.23
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid (CID 140552299) is (2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid is NC(=O)[C@@H](CC1CCCCC1)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid?
The InChIKey is TUCJBMXTXMTBJJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24N2O3/c18-16(20)14(11-12-7-3-1-4-8-12)19-15(17(21)22)13-9-5-2-6-10-13/h2,5-6,9-10,12,14-15,19H,1,3-4,7-8,11H2,(H2,18,20)(H,21,22)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid?
(2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid has a molecular weight of 304.39 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid is sourced from PubChem (CID 140552299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).