N-carbamoyl-2-(3-hydroxypropylamino)propanamide

C7H15N3O3 — CID 43392786

IUPACN-carbamoyl-2-(3-hydroxypropylamino)propanamide
SMILESCC(NCCCO)C(=O)NC(N)=O
InChIInChI=1S/C7H15N3O3/c1-5(9-3-2-4-11)6(12)10-7(8)13/h5,9,11H,2-4H2,1H3,(H3,8,10,12,13)
InChIKeyIOKOZRDLDNEBDW-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.46
Rot. Bonds5

About N-carbamoyl-2-(3-hydroxypropylamino)propanamide

N-carbamoyl-2-(3-hydroxypropylamino)propanamide (PubChem CID 43392786) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-carbamoyl-2-(3-hydroxypropylamino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(3-hydroxypropylamino)propanamide
PubChem CID43392786
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC NameN-carbamoyl-2-(3-hydroxypropylamino)propanamide
SMILESCC(NCCCO)C(=O)NC(N)=O
InChIInChI=1S/C7H15N3O3/c1-5(9-3-2-4-11)6(12)10-7(8)13/h5,9,11H,2-4H2,1H3,(H3,8,10,12,13)
InChIKeyIOKOZRDLDNEBDW-UHFFFAOYSA-N
XLogP-1.46
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide
CID 43086025
2-(3-hydroxypropylamino)propanamide
CID 43392787
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473366
N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide
CID 106045951
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671920
2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide
CID 107851798
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495
N-carbamoyl-2-[2-[di(propan-2-yl)amino]ethylamino]propanamide
CID 43086354
2-(3-hydroxypropylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43416442
N-carbamoyl-2-methylpropanamide
CID 541584
2-(3-hydroxypropylamino)-3-methylbutanamide
CID 103914237

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(3-hydroxypropylamino)propanamide?
The IUPAC name of N-carbamoyl-2-(3-hydroxypropylamino)propanamide (CID 43392786) is N-carbamoyl-2-(3-hydroxypropylamino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(3-hydroxypropylamino)propanamide?
The canonical SMILES for N-carbamoyl-2-(3-hydroxypropylamino)propanamide is CC(NCCCO)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(3-hydroxypropylamino)propanamide?
The InChIKey is IOKOZRDLDNEBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-5(9-3-2-4-11)6(12)10-7(8)13/h5,9,11H,2-4H2,1H3,(H3,8,10,12,13).
What are the key properties of N-carbamoyl-2-(3-hydroxypropylamino)propanamide?
N-carbamoyl-2-(3-hydroxypropylamino)propanamide has a molecular weight of 189.21 g/mol, XLogP of -1.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(3-hydroxypropylamino)propanamide is sourced from PubChem (CID 43392786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).