CID 161212655

C21H32AuN4O4P — CID 161212655

IUPAC—
SMILESCC(C)P(C(C)C)C(C)C.O=C(N[C@@H](C(=O)O)c1ccccc1)OCc1[c-]nn[nH]1.[Au+]
InChIInChI=1S/C12H11N4O4.C9H21P.Au/c17-11(18)10(8-4-2-1-3-5-8)14-12(19)20-7-9-6-13-16-15-9;1-7(2)10(8(3)4)9(5)6;/h1-5,10H,7H2,(H,14,19)(H,17,18)(H,13,15,16);7-9H,1-6H3;/q-1;;+1/t10-;;/m1../s1
InChIKeyNFPZAJNHNAIYCW-YQFADDPSSA-N
MW632.45 g/mol
LogP4.35
Rot. Bonds8

About CID 161212655

CID 161212655 (PubChem CID 161212655) has the molecular formula C21H32AuN4O4P and a molecular weight of 632.45 g/mol.

Molecular Properties

Compound NameCID 161212655
PubChem CID161212655
Molecular FormulaC21H32AuN4O4P
Molecular Weight632.45 g/mol
Exact Mass632.18
IUPAC Name—
SMILESCC(C)P(C(C)C)C(C)C.O=C(N[C@@H](C(=O)O)c1ccccc1)OCc1[c-]nn[nH]1.[Au+]
InChIInChI=1S/C12H11N4O4.C9H21P.Au/c17-11(18)10(8-4-2-1-3-5-8)14-12(19)20-7-9-6-13-16-15-9;1-7(2)10(8(3)4)9(5)6;/h1-5,10H,7H2,(H,14,19)(H,17,18)(H,13,15,16);7-9H,1-6H3;/q-1;;+1/t10-;;/m1../s1
InChIKeyNFPZAJNHNAIYCW-YQFADDPSSA-N
XLogP4.35
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.45
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-phenyl-2-(prop-2-enoxycarbonylamino)acetic acid
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CID 162466097
(2S)-2-phenyl-2-(prop-2-ynoxycarbonylamino)acetic acid
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2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
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(2S)-2-(3-aminopropoxycarbonylamino)-2-phenylacetic acid;hydrochloride
CID 121000168
ethoxycarbonyl (2S)-2-(ethoxycarbonylamino)-2-phenylacetate
CID 102234074
2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309293
ethane;2-phenyl-2-(propanoylamino)acetic acid
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(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid
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Frequently Asked Questions

What is the IUPAC name of CID 161212655?
The IUPAC name of CID 161212655 (CID 161212655) is not available.
What is the SMILES notation for CID 161212655?
The canonical SMILES for CID 161212655 is CC(C)P(C(C)C)C(C)C.O=C(N[C@@H](C(=O)O)c1ccccc1)OCc1[c-]nn[nH]1.[Au+].
What is the InChIKey of CID 161212655?
The InChIKey is NFPZAJNHNAIYCW-YQFADDPSSA-N. The full InChI is InChI=1S/C12H11N4O4.C9H21P.Au/c17-11(18)10(8-4-2-1-3-5-8)14-12(19)20-7-9-6-13-16-15-9;1-7(2)10(8(3)4)9(5)6;/h1-5,10H,7H2,(H,14,19)(H,17,18)(H,13,15,16);7-9H,1-6H3;/q-1;;+1/t10-;;/m1../s1.
What are the key properties of CID 161212655?
CID 161212655 has a molecular weight of 632.45 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161212655 is sourced from PubChem (CID 161212655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).