(3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide

C6H12N4O3 — CID 43545817

IUPAC(3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide
SMILESCC(NC(=O)C/C(N)=N/O)C(N)=O
InChIInChI=1S/C6H12N4O3/c1-3(6(8)12)9-5(11)2-4(7)10-13/h3,13H,2H2,1H3,(H2,7,10)(H2,8,12)(H,9,11)
InChIKeySGGXJAVUAKKYLY-UHFFFAOYSA-N
MW188.19 g/mol
LogP-1.89
Rot. Bonds4

About (3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide

(3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide (PubChem CID 43545817) has the molecular formula C6H12N4O3 and a molecular weight of 188.19 g/mol. Its IUPAC name is (3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide
PubChem CID43545817
Molecular FormulaC6H12N4O3
Molecular Weight188.19 g/mol
Exact Mass188.09
IUPAC Name(3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide
SMILESCC(NC(=O)C/C(N)=N/O)C(N)=O
InChIInChI=1S/C6H12N4O3/c1-3(6(8)12)9-5(11)2-4(7)10-13/h3,13H,2H2,1H3,(H2,7,10)(H2,8,12)(H,9,11)
InChIKeySGGXJAVUAKKYLY-UHFFFAOYSA-N
XLogP-1.89
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(N'-hydroxycarbamimidoyl)acetamide
CID 2453601
2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103369641
N-methyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103369840
N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103369866
N-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103370131
N-(2-methylpropyl)-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103370134
N-ethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 113808016
(3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide
CID 15290119
(3Z)-3-amino-3-hydroxyimino-N-propylpropanamide
CID 43155937
(3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide
CID 43155981
3-amino-3-hydroxyimino-N-propan-2-ylpropanamide
CID 54131512
2-[[(3E)-3-amino-3-hydroxyiminopropyl]amino]-N-hydroxyacetamide
CID 57668610

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide (CID 43545817) is (3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide is CC(NC(=O)C/C(N)=N/O)C(N)=O.
What is the InChIKey of (3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide?
The InChIKey is SGGXJAVUAKKYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3/c1-3(6(8)12)9-5(11)2-4(7)10-13/h3,13H,2H2,1H3,(H2,7,10)(H2,8,12)(H,9,11).
What are the key properties of (3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide has a molecular weight of 188.19 g/mol, XLogP of -1.89, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 43545817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).