benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium

C19H24N2O6P+ — CID 70147740

IUPACbenzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium
SMILESCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1.O=[P+](O)O
InChIInChI=1S/C19H22N2O3.HO3P/c1-2-20-18(22)17(13-15-9-5-3-6-10-15)21-19(23)24-14-16-11-7-4-8-12-16;1-4(2)3/h3-12,17H,2,13-14H2,1H3,(H,20,22)(H,21,23);(H-,1,2,3)/p+1/t17-;/m0./s1
InChIKeyXRVULMJCJKUUGS-LMOVPXPDSA-O
MW407.38 g/mol
LogP2.29
Rot. Bonds7

About benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium

benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium (PubChem CID 70147740) has the molecular formula C19H24N2O6P+ and a molecular weight of 407.38 g/mol. Its IUPAC name is benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium
PubChem CID70147740
Molecular FormulaC19H24N2O6P+
Molecular Weight407.38 g/mol
Exact Mass407.14
IUPAC Namebenzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium
SMILESCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1.O=[P+](O)O
InChIInChI=1S/C19H22N2O3.HO3P/c1-2-20-18(22)17(13-15-9-5-3-6-10-15)21-19(23)24-14-16-11-7-4-8-12-16;1-4(2)3/h3-12,17H,2,13-14H2,1H3,(H,20,22)(H,21,23);(H-,1,2,3)/p+1/t17-;/m0./s1
InChIKeyXRVULMJCJKUUGS-LMOVPXPDSA-O
XLogP2.29
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S)-1-oxo-3-phenyl-1-[16-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexadecylamino]propan-2-yl]carbamate
CID 71491760
benzyl N-[(2S)-1-oxo-3-phenyl-1-[10-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]decylamino]propan-2-yl]carbamate
CID 99653330
benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4805903
benzyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-[12-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]dodecylamino]propan-2-yl]amino]-3-phenylpropan-2-yl]carbamate
CID 10843729
benzyl N-[1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]carbamate
CID 141145245
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
(3S)-4-[[(2S)-3-carboxy-1-oxo-1-(propylamino)propan-2-yl]amino]-4-oxo-3-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]butanoic acid
CID 102226946
benzyl N-[1-(2-ethoxycarbonylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 12802541
(2S)-3-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
CID 59254472
benzyl N-[(2S)-1-oxo-1-(2-oxoethylamino)-3-phenylpropan-2-yl]carbamate
CID 15488851
benzyl N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]carbamate
CID 2973242
benzyl N-[(2S)-1-[4-(diethylamino)butylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 71211470

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium?
The IUPAC name of benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium (CID 70147740) is benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium.
What is the SMILES notation for benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium?
The canonical SMILES for benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium is CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1.O=[P+](O)O.
What is the InChIKey of benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium?
The InChIKey is XRVULMJCJKUUGS-LMOVPXPDSA-O. The full InChI is InChI=1S/C19H22N2O3.HO3P/c1-2-20-18(22)17(13-15-9-5-3-6-10-15)21-19(23)24-14-16-11-7-4-8-12-16;1-4(2)3/h3-12,17H,2,13-14H2,1H3,(H,20,22)(H,21,23);(H-,1,2,3)/p+1/t17-;/m0./s1.
What are the key properties of benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium?
benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium has a molecular weight of 407.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 70147740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).