prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate

C7H13N3O3 — CID 22826694

IUPACprop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
SMILESC=CCOC(=O)NN[C@@H](C)C(N)=O
InChIInChI=1S/C7H13N3O3/c1-3-4-13-7(12)10-9-5(2)6(8)11/h3,5,9H,1,4H2,2H3,(H2,8,11)(H,10,12)/t5-/m0/s1
InChIKeyZNKKGOWMQOZWJM-YFKPBYRVSA-N
MW187.20 g/mol
LogP-0.72
Rot. Bonds5

About prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate

prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate (PubChem CID 22826694) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
PubChem CID22826694
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Nameprop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
SMILESC=CCOC(=O)NN[C@@H](C)C(N)=O
InChIInChI=1S/C7H13N3O3/c1-3-4-13-7(12)10-9-5(2)6(8)11/h3,5,9H,1,4H2,2H3,(H2,8,11)(H,10,12)/t5-/m0/s1
InChIKeyZNKKGOWMQOZWJM-YFKPBYRVSA-N
XLogP-0.72
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-(2-aminopropyl)carbamate
CID 11321103
methyl (2S)-2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]propanoate
CID 164673637
prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate
CID 154984724
3-methyl-2-[(prop-2-enoxycarbonylamino)methyl]butanoic acid
CID 65220019
2-(hex-5-en-2-ylamino)propanamide
CID 104581628
9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
CID 143718810
prop-2-enyl 2-aminopropanoate
CID 91515395
prop-2-enyl N-sulfanylcarbamate
CID 90994311
2-methylpropyl prop-2-enyl carbonate
CID 6420250
(2R)-2-[(prop-2-enoxycarbonylamino)methyl]butanoic acid
CID 167742277
prop-2-enyl N-chlorosulfonylcarbamate
CID 55279199
(3S,4R)-4-methyl-3-(prop-2-enoxycarbonylamino)hexanoic acid
CID 166000578

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate?
The IUPAC name of prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate (CID 22826694) is prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate.
What is the SMILES notation for prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate?
The canonical SMILES for prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate is C=CCOC(=O)NN[C@@H](C)C(N)=O.
What is the InChIKey of prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate?
The InChIKey is ZNKKGOWMQOZWJM-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-3-4-13-7(12)10-9-5(2)6(8)11/h3,5,9H,1,4H2,2H3,(H2,8,11)(H,10,12)/t5-/m0/s1.
What are the key properties of prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate?
prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate has a molecular weight of 187.20 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate is sourced from PubChem (CID 22826694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).