(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide

C10H20N4O3 — CID 14259918

IUPAC(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
SMILESCNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C10H20N4O3/c1-5(11)8(15)13-7(3)10(17)14-6(2)9(16)12-4/h5-7H,11H2,1-4H3,(H,12,16)(H,13,15)(H,14,17)/t5-,6-,7-/m0/s1
InChIKeyWWZJYCHGQUUBSC-ACZMJKKPSA-N
MW244.29 g/mol
LogP-1.91
Rot. Bonds5

About (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide (PubChem CID 14259918) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
PubChem CID14259918
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
SMILESCNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C10H20N4O3/c1-5(11)8(15)13-7(3)10(17)14-6(2)9(16)12-4/h5-7H,11H2,1-4H3,(H,12,16)(H,13,15)(H,14,17)/t5-,6-,7-/m0/s1
InChIKeyWWZJYCHGQUUBSC-ACZMJKKPSA-N
XLogP-1.91
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide (CID 14259918) is (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide is CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide?
The InChIKey is WWZJYCHGQUUBSC-ACZMJKKPSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-5(11)8(15)13-7(3)10(17)14-6(2)9(16)12-4/h5-7H,11H2,1-4H3,(H,12,16)(H,13,15)(H,14,17)/t5-,6-,7-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide has a molecular weight of 244.29 g/mol, XLogP of -1.91, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 14259918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).