2-amino-3-(prop-1-en-2-ylamino)oxypropanamide

C6H13N3O2 — CID 57226667

IUPAC2-amino-3-(prop-1-en-2-ylamino)oxypropanamide
SMILESC=C(C)NOCC(N)C(N)=O
InChIInChI=1S/C6H13N3O2/c1-4(2)9-11-3-5(7)6(8)10/h5,9H,1,3,7H2,2H3,(H2,8,10)
InChIKeyMDCODCPAZGHVSK-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.15
Rot. Bonds5

About 2-amino-3-(prop-1-en-2-ylamino)oxypropanamide

2-amino-3-(prop-1-en-2-ylamino)oxypropanamide (PubChem CID 57226667) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-amino-3-(prop-1-en-2-ylamino)oxypropanamide.

Molecular Properties

Compound Name2-amino-3-(prop-1-en-2-ylamino)oxypropanamide
PubChem CID57226667
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2-amino-3-(prop-1-en-2-ylamino)oxypropanamide
SMILESC=C(C)NOCC(N)C(N)=O
InChIInChI=1S/C6H13N3O2/c1-4(2)9-11-3-5(7)6(8)10/h5,9H,1,3,7H2,2H3,(H2,8,10)
InChIKeyMDCODCPAZGHVSK-UHFFFAOYSA-N
XLogP-1.15
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,3-diamino-3-oxopropyl) acetate
CID 130975644
1-(prop-1-en-2-ylamino)oxypropan-2-ol
CID 57103924
(2S)-2-amino-3-propan-2-yloxypropanamide chloride
CID 162334283
2-amino-N-(2-methylprop-2-enoxy)propanamide
CID 131226983
[(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate
CID 177053282
4-amino-5-methoxyhex-5-en-2-one
CID 123447275
2-aminobutanamide;hydrochloride
CID 14333659
2-amino-3-[3-(2-methoxyethoxy)propoxy]propanamide
CID 103400791
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
(2R)-2-amino-3-(diethylamino)propanamide
CID 94048632
(prop-1-en-2-ylamino) propanoate
CID 57193180
2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide
CID 114617067

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(prop-1-en-2-ylamino)oxypropanamide?
The IUPAC name of 2-amino-3-(prop-1-en-2-ylamino)oxypropanamide (CID 57226667) is 2-amino-3-(prop-1-en-2-ylamino)oxypropanamide.
What is the SMILES notation for 2-amino-3-(prop-1-en-2-ylamino)oxypropanamide?
The canonical SMILES for 2-amino-3-(prop-1-en-2-ylamino)oxypropanamide is C=C(C)NOCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(prop-1-en-2-ylamino)oxypropanamide?
The InChIKey is MDCODCPAZGHVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-4(2)9-11-3-5(7)6(8)10/h5,9H,1,3,7H2,2H3,(H2,8,10).
What are the key properties of 2-amino-3-(prop-1-en-2-ylamino)oxypropanamide?
2-amino-3-(prop-1-en-2-ylamino)oxypropanamide has a molecular weight of 159.19 g/mol, XLogP of -1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(prop-1-en-2-ylamino)oxypropanamide is sourced from PubChem (CID 57226667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).