2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid

C15H20N4O7 — CID 135285198

IUPAC2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid
SMILESO=C(O)NOCCNC(=O)CNC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C15H20N4O7/c20-12(16-6-7-26-19-14(22)23)8-17-13(21)9-18-15(24)25-10-11-4-2-1-3-5-11/h1-5,19H,6-10H2,(H,16,20)(H,17,21)(H,18,24)(H,22,23)
InChIKeyBTKJMTSCZOSVPP-UHFFFAOYSA-N
MW368.35 g/mol
LogP-0.66
Rot. Bonds10

About 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid

2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid (PubChem CID 135285198) has the molecular formula C15H20N4O7 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid.

Molecular Properties

Compound Name2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid
PubChem CID135285198
Molecular FormulaC15H20N4O7
Molecular Weight368.35 g/mol
Exact Mass368.13
IUPAC Name2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid
SMILESO=C(O)NOCCNC(=O)CNC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C15H20N4O7/c20-12(16-6-7-26-19-14(22)23)8-17-13(21)9-18-15(24)25-10-11-4-2-1-3-5-11/h1-5,19H,6-10H2,(H,16,20)(H,17,21)(H,18,24)(H,22,23)
InChIKeyBTKJMTSCZOSVPP-UHFFFAOYSA-N
XLogP-0.66
TPSA155.09 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 5-0.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126009561
methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 118927964
benzyl (2R)-3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate
CID 92526571
benzyl N-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170898622
benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate
CID 89049973
(2R)-3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 54179329
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
benzyl N-(2-nitroso-2-oxoethyl)carbamate
CID 118370202
benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
CID 178184257
benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 101435256
benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate
CID 18930613

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid?
The IUPAC name of 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid (CID 135285198) is 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid.
What is the SMILES notation for 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid?
The canonical SMILES for 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid is O=C(O)NOCCNC(=O)CNC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid?
The InChIKey is BTKJMTSCZOSVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O7/c20-12(16-6-7-26-19-14(22)23)8-17-13(21)9-18-15(24)25-10-11-4-2-1-3-5-11/h1-5,19H,6-10H2,(H,16,20)(H,17,21)(H,18,24)(H,22,23).
What are the key properties of 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid?
2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid has a molecular weight of 368.35 g/mol, XLogP of -0.66, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid is sourced from PubChem (CID 135285198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).