tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate

C14H23N5O4 — CID 175186155

IUPACtert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCCNC(N)=O)C(=O)n1ccnc1
InChIInChI=1S/C14H23N5O4/c1-14(2,3)23-13(22)18-10(5-4-6-17-12(15)21)11(20)19-8-7-16-9-19/h7-10H,4-6H2,1-3H3,(H,18,22)(H3,15,17,21)
InChIKeyKQDVWPZLSSZJCH-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.87
Rot. Bonds6

About tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate

tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate (PubChem CID 175186155) has the molecular formula C14H23N5O4 and a molecular weight of 325.37 g/mol. Its IUPAC name is tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate
PubChem CID175186155
Molecular FormulaC14H23N5O4
Molecular Weight325.37 g/mol
Exact Mass325.18
IUPAC Nametert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCCNC(N)=O)C(=O)n1ccnc1
InChIInChI=1S/C14H23N5O4/c1-14(2,3)23-13(22)18-10(5-4-6-17-12(15)21)11(20)19-8-7-16-9-19/h7-10H,4-6H2,1-3H3,(H,18,22)(H3,15,17,21)
InChIKeyKQDVWPZLSSZJCH-UHFFFAOYSA-N
XLogP0.87
TPSA128.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-5-(imidazole-1-carbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10571966
tert-butyl N-[(2S)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate
CID 170928614
tert-butyl N-[(3S)-6-imidazol-1-yl-2,6-dioxohexan-3-yl]carbamate
CID 162057362
tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate
CID 11555010
tert-butyl N-[(2S)-1-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-sulfanylidenehexan-2-yl]carbamate
CID 87186009
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
(2S)-5-(carbamoylamino)-2-[[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]acetyl]amino]pentanoic acid
CID 139458514
tert-butyl N-[1-[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]hexylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 123364045
tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pentanoate
CID 86625123
(2S)-6-(carbamoylamino)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]hexanoic acid
CID 166829349
tert-butyl N-[(2S)-5-(carbamoylamino)-1-[2,6-difluoro-4-[hydroxy(methoxy)methyl]anilino]-1-oxopentan-2-yl]carbamate
CID 163764533
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanethioic S-acid
CID 59548988

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate (CID 175186155) is tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CCCNC(N)=O)C(=O)n1ccnc1.
What is the InChIKey of tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate?
The InChIKey is KQDVWPZLSSZJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O4/c1-14(2,3)23-13(22)18-10(5-4-6-17-12(15)21)11(20)19-8-7-16-9-19/h7-10H,4-6H2,1-3H3,(H,18,22)(H3,15,17,21).
What are the key properties of tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate has a molecular weight of 325.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 175186155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).