3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid

C10H17N3O4 — CID 79400915

IUPAC3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
SMILESNC(CC(=O)O)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C10H17N3O4/c11-7(5-9(15)16)10(17)12-4-3-8(14)13-6-1-2-6/h6-7H,1-5,11H2,(H,12,17)(H,13,14)(H,15,16)
InChIKeyUVNWDPMKWOBRMK-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.43
Rot. Bonds7

About 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid

3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid (PubChem CID 79400915) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
PubChem CID79400915
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
SMILESNC(CC(=O)O)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C10H17N3O4/c11-7(5-9(15)16)10(17)12-4-3-8(14)13-6-1-2-6/h6-7H,1-5,11H2,(H,12,17)(H,13,14)(H,15,16)
InChIKeyUVNWDPMKWOBRMK-UHFFFAOYSA-N
XLogP-1.43
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
CID 79400919
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide
CID 79401443
(3S)-3-amino-4-(2-carboxyethylamino)-4-oxobutanoic acid
CID 7019995
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 81070679
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide
CID 103515809
3-amino-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 64896520
3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
CID 119741948
N-[3-(cyclopropylamino)-3-oxopropyl]-2-(methylamino)propanamide
CID 79400764
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid
CID 79400880

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid (CID 79400915) is 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid is NC(CC(=O)O)C(=O)NCCC(=O)NC1CC1.
What is the InChIKey of 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
The InChIKey is UVNWDPMKWOBRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c11-7(5-9(15)16)10(17)12-4-3-8(14)13-6-1-2-6/h6-7H,1-5,11H2,(H,12,17)(H,13,14)(H,15,16).
What are the key properties of 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid has a molecular weight of 243.26 g/mol, XLogP of -1.43, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 79400915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).